3-(3-methylbut-2-enylamino)pentan-1-ol

C10H21NO — CID 106547225

IUPAC3-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCCC(CCO)NCC=C(C)C
InChIInChI=1S/C10H21NO/c1-4-10(6-8-12)11-7-5-9(2)3/h5,10-12H,4,6-8H2,1-3H3
InChIKeyUFBIGNILZJWYGO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About 3-(3-methylbut-2-enylamino)pentan-1-ol

3-(3-methylbut-2-enylamino)pentan-1-ol (PubChem CID 106547225) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-enylamino)pentan-1-ol
PubChem CID106547225
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCCC(CCO)NCC=C(C)C
InChIInChI=1S/C10H21NO/c1-4-10(6-8-12)11-7-5-9(2)3/h5,10-12H,4,6-8H2,1-3H3
InChIKeyUFBIGNILZJWYGO-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylamino)pentan-1-ol?
The IUPAC name of 3-(3-methylbut-2-enylamino)pentan-1-ol (CID 106547225) is 3-(3-methylbut-2-enylamino)pentan-1-ol.
What is the SMILES notation for 3-(3-methylbut-2-enylamino)pentan-1-ol?
The canonical SMILES for 3-(3-methylbut-2-enylamino)pentan-1-ol is CCC(CCO)NCC=C(C)C.
What is the InChIKey of 3-(3-methylbut-2-enylamino)pentan-1-ol?
The InChIKey is UFBIGNILZJWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(6-8-12)11-7-5-9(2)3/h5,10-12H,4,6-8H2,1-3H3.
What are the key properties of 3-(3-methylbut-2-enylamino)pentan-1-ol?
3-(3-methylbut-2-enylamino)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylamino)pentan-1-ol is sourced from PubChem (CID 106547225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).